Cas no 1689-78-7 (2-(tert-Butyl)thiophene)

2-(tert-Butyl)thiophene is a substituted thiophene derivative characterized by the presence of a tert-butyl group at the 2-position of the thiophene ring. This structural modification enhances its steric and electronic properties, making it a valuable intermediate in organic synthesis and material science applications. The tert-butyl group imparts increased stability and influences reactivity, particularly in electrophilic substitution reactions. This compound is commonly utilized in the development of conjugated polymers, ligands for catalysis, and functionalized heterocycles. Its well-defined molecular structure and compatibility with various synthetic routes make it a versatile building block for advanced chemical research and industrial applications.
2-(tert-Butyl)thiophene structure
2-(tert-Butyl)thiophene structure
Product Name:2-(tert-Butyl)thiophene
CAS No:1689-78-7
MF:C8H12S
MW:140.245881080627
MDL:MFCD00089197
CID:41809
PubChem ID:15528
Update Time:2025-05-27

2-(tert-Butyl)thiophene Chemical and Physical Properties

Names and Identifiers

    • 2-(tert-Butyl)thiophene
    • 2-TERT-BUTYL-THIOPHENE
    • 2-T-BUTYLTHIOPHENE
    • AKOS BBS-00004446
    • 2-TERT-BUTYLTHIOPHENE
    • Thiophene, 2-(1,1-diMethylethyl)-
    • Thiophene, 2-tert-butyl-
    • AI3-15885
    • AC4668
    • R5YF9YW3CR
    • SCHEMBL73299
    • UNII-R5YF9YW3CR
    • Thiophene, (1,1-dimethylethyl)-
    • MFCD00089197
    • Q27287835
    • 1-(4-Fluorobenzoyl)-4-hydroxy-2-pyrrolidinecarboxylicacid
    • SY014132
    • DTXSID7073270
    • AKOS000268955
    • 1689-78-7
    • FT-0651111
    • AS-77914
    • A20782
    • DB-006219
    • DTXCID9035412
    • STK023315
    • MDL: MFCD00089197
    • Inchi: 1S/C8H12S/c1-8(2,3)7-5-4-6-9-7/h4-6H,1-3H3
    • InChI Key: SWCDOJGIOCVXFM-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1C(C)(C)C

Computed Properties

  • Exact Mass: 140.06600
  • Monoisotopic Mass: 140.065971
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 91.2
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 28.2
  • XLogP3: 3.3

Experimental Properties

  • Density: 0.9967 (estimate)
  • Melting Point: -59.1°C
  • Boiling Point: 163.95°C
  • Flash Point: 37.7±4.9 °C
  • Refractive Index: 1.5197 (estimate)
  • PSA: 28.24000
  • LogP: 3.04560
  • Vapor Pressure: 2.0±0.3 mmHg at 25°C

2-(tert-Butyl)thiophene Security Information

2-(tert-Butyl)thiophene Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(tert-Butyl)thiophene Pricemore >>

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